1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({2-[(2-chloro-6-fluorophenyl)methoxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Chemical Structure Depiction of
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({2-[(2-chloro-6-fluorophenyl)methoxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({2-[(2-chloro-6-fluorophenyl)methoxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Compound characteristics
| Compound ID: | 6011-0654 |
| Compound Name: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({2-[(2-chloro-6-fluorophenyl)methoxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide |
| Molecular Weight: | 513.92 |
| Molecular Formula: | C22 H21 Cl F N9 O3 |
| Smiles: | CN(C)Cc1c(C(N/N=C/c2ccccc2OCc2c(cccc2[Cl])F)=O)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 3.2489 |
| logD: | 2.7885 |
| logSw: | -3.5035 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.357 |
| InChI Key: | XCXNTZIZKFTEGW-UHFFFAOYSA-N |